N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine

C16H23N7OS — CID 172900091

IUPACN-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine
SMILESCc1nsc(N2CCC(Nc3ccnc(N4CCOCC4)n3)CC2)n1
InChIInChI=1S/C16H23N7OS/c1-12-18-16(25-21-12)23-6-3-13(4-7-23)19-14-2-5-17-15(20-14)22-8-10-24-11-9-22/h2,5,13H,3-4,6-11H2,1H3,(H,17,19,20)
InChIKeyCKMCGANDFKMLHM-UHFFFAOYSA-N
MW361.48 g/mol
LogP1.55
Rot. Bonds4

About N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine

N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine (PubChem CID 172900091) has the molecular formula C16H23N7OS and a molecular weight of 361.48 g/mol. Its IUPAC name is N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine
PubChem CID172900091
Molecular FormulaC16H23N7OS
Molecular Weight361.48 g/mol
Exact Mass361.17
IUPAC NameN-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine
SMILESCc1nsc(N2CCC(Nc3ccnc(N4CCOCC4)n3)CC2)n1
InChIInChI=1S/C16H23N7OS/c1-12-18-16(25-21-12)23-6-3-13(4-7-23)19-14-2-5-17-15(20-14)22-8-10-24-11-9-22/h2,5,13H,3-4,6-11H2,1H3,(H,17,19,20)
InChIKeyCKMCGANDFKMLHM-UHFFFAOYSA-N
XLogP1.55
TPSA79.30 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.48
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 172900055
N-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 175648844
N-cyclopropyl-2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-amine
CID 117078978
N-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 172901754
N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 172901713
N-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 172891609
2-morpholin-4-yl-N-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)pyrimidin-4-amine
CID 172903460
N-[1-(4,6-dimethoxypyrimidin-2-yl)pyrrolidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 172901782
2-[4-[(2-morpholin-4-ylpyrimidin-4-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile
CID 172901289
N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 172901667
2-morpholin-4-yl-N-[1-(oxan-2-ylmethyl)piperidin-4-yl]pyrimidin-4-amine
CID 172899503
N-[1-(6-methyl-2-pyridinyl)piperidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 175649260

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine?
The IUPAC name of N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine (CID 172900091) is N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine.
What is the SMILES notation for N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine?
The canonical SMILES for N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine is Cc1nsc(N2CCC(Nc3ccnc(N4CCOCC4)n3)CC2)n1.
What is the InChIKey of N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine?
The InChIKey is CKMCGANDFKMLHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N7OS/c1-12-18-16(25-21-12)23-6-3-13(4-7-23)19-14-2-5-17-15(20-14)22-8-10-24-11-9-22/h2,5,13H,3-4,6-11H2,1H3,(H,17,19,20).
What are the key properties of N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine?
N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine has a molecular weight of 361.48 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 172900091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).